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9-Octadecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester

View entire compound with spectra: 1 NMR

9-Octadecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID 76M7otPt5Ou
InChI InChI=1S/C22H35F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(30)31-18-20(23,24)21(25,26)22(27,28)29/h9-10H,2-8,11-18H2,1H3/b10-9+
InChIKey WKRIAADGSLQJQB-MDZDMXLPSA-N
Mol Weight 464.5 g/mol
Molecular Formula C22H35F7O2
Exact Mass 464.252528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8yNKm6Snxn
Name 9-Octadecanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.252527506 u
Formula C22H35F7O2
InChI InChI=1S/C22H35F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(30)31-18-20(23,24)21(25,26)22(27,28)29/h9-10H,2-8,11-18H2,1H3/b10-9+
InChIKey WKRIAADGSLQJQB-MDZDMXLPSA-N
Molecular Weight 464.509 g/mol
SMILES CCCCCCCC\C=C\CCCCCCCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F